English

Bond-breaking Induced Lifshitz Transition in Robust Dirac Semimetal $\mathbf{VAl_3}$

Materials Science 2020-06-30 v1

Abstract

Topological electrons in semimetals are usually vulnerable to chemical doping and environment change, which restricts their potential application in future electronic devices. In this paper we report that the type-II Dirac semimetal VAl3\mathbf{VAl_3} hosts exceptional, robust topological electrons which can tolerate extreme change of chemical composition. The Dirac electrons remain intact even after a substantial part of V atoms have been replaced in the V1xTixAl3\mathbf{V_{1-x}Ti_xAl_3} solid solutions. This Dirac semimetal state ends at x=0.35x=0.35 where a Lifshitz transition to pp-type trivial metal occurs. The V-Al bond is completely broken in this transition as long as the bonding orbitals are fully depopulated by the holes donated from Ti substitution. In other words, the Dirac electrons in VAl3\mathbf{VAl_3} are protected by the V-Al bond whose molecular orbital is their bonding gravity center. Our understanding on the interrelations among electron count, chemical bond and electronic properties in topological semimetals suggests a rational approach to search robust, chemical-bond-protected topological materials.

Keywords

Cite

@article{arxiv.2005.07970,
  title  = {Bond-breaking Induced Lifshitz Transition in Robust Dirac Semimetal $\mathbf{VAl_3}$},
  author = {Yiyuan Liu and Yu-Fei Liu and Xin Gui and Cheng Xiang and Hui-bin Zhou and Chuang-Han Hsu and HsinLin and Tay-RongChang and WeiweiXie and ShuangJia},
  journal= {arXiv preprint arXiv:2005.07970},
  year   = {2020}
}
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